SCHEMBL4899485

SCHEMBL4899485

CC(C)OC(COC=O)OP(=O)(O)C(F)(F)c1ccc(Cn2c(-c3ccc(S(C)(=O)=O)cc3)cn(Cc3ccccc3)c2=O)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.33
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
PTPN1 P18031 2/20 0.31
SDHB P21912 1/20 0.30
PTGS1 P23219 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PTPN2 P17706 1/20 0.30
NR1H2 P55055 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4894081 0.92 P2RX3 (0.33) PTPN1L3MBTL1PTPN2
SCHEMBL4891880 0.91 PTPN1 (0.31) PTGS2PTPN1PTPN2
SCHEMBL4899480 0.85 PTGS2 (0.34) PTGS2MAPK8MAPK9MAPK10PTPN1
SCHEMBL4901413 0.85 PTGS2 (0.32) PTGS2PTPN1PTPN2
SCHEMBL4890502 0.84 PTPN1 (0.41) PTGS2MAPK8MAPK9MAPK10PTPN1
SCHEMBL4900105 0.81 NR1H2 (0.32) PTGS2PTPN1PTGS1NR1H2
SCHEMBL4901508 0.81 PTPN1 (0.40) PTGS2MAPK8MAPK9MAPK10PTPN1
SCHEMBL14257198 0.80 PTPN1 (0.36) PTGS2MAPK8MAPK9MAPK10PTPN1
SCHEMBL4901627 0.80 KMT2A (0.34) PTGS2PTGS1L3MBTL1
SCHEMBL4901617 0.79 MKNK1 (0.33) PTGS2MAPK8MAPK9MAPK10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases PPM1B, PPM1D, PTPRS PTGS2 1384/4885MAPK8 682/4885MAPK9 580/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.